3-methyl-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one

C12H14N2O5S — CID 559418

IUPAC3-methyl-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C12H14N2O5S/c1-13-10-3-2-9(8-11(10)19-12(13)15)20(16,17)14-4-6-18-7-5-14/h2-3,8H,4-7H2,1H3
InChIKeyKNENWQSSZCOMFI-UHFFFAOYSA-N
MW298.32 g/mol
LogP0.15
Rot. Bonds2

About 3-methyl-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one

3-methyl-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one (PubChem CID 559418) has the molecular formula C12H14N2O5S and a molecular weight of 298.32 g/mol. Its IUPAC name is 3-methyl-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-methyl-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one
PubChem CID559418
Molecular FormulaC12H14N2O5S
Molecular Weight298.32 g/mol
Exact Mass298.06
IUPAC Name3-methyl-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C12H14N2O5S/c1-13-10-3-2-9(8-11(10)19-12(13)15)20(16,17)14-4-6-18-7-5-14/h2-3,8H,4-7H2,1H3
InChIKeyKNENWQSSZCOMFI-UHFFFAOYSA-N
XLogP0.15
TPSA81.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-Methyl-2-oxo-N-phenyl-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 564213
N-(2-Fluorophenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 611342
N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 728803
3-[2-Oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-3-yl]propanoic acid
CID 7131707
2,3-Dihydro-2-oxobenzoxazole-6-sulphonamide
CID 89878
methyl 2-oxo-5-(piperidin-1-ylsulfonyl)-1,3-benzoxazole-3(2H)-carboxylate
CID 712076
N-[4-(3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonylamino)-phenyl]-acetamide
CID 1093454
N,3-dimethyl-2-oxo-N-phenyl-1,3-benzoxazole-6-sulfonamide
CID 1093455
3-Methyl-6-(4-methyl-piperidine-1-sulfonyl)-3H-benzooxazol-2-one
CID 1093465
N-cyclohexyl-N-methyl-2-oxo-2,3-dihydrobenzo[d]oxazole-6-sulfonamide
CID 1828480
6-(2,3-Dihydroindol-1-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one
CID 1965778
6-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 3379018

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one?
The IUPAC name of 3-methyl-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one (CID 559418) is 3-methyl-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-methyl-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one?
The canonical SMILES for 3-methyl-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one is Cn1c(=O)oc2cc(S(=O)(=O)N3CCOCC3)ccc21.
What is the InChIKey of 3-methyl-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one?
The InChIKey is KNENWQSSZCOMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5S/c1-13-10-3-2-9(8-11(10)19-12(13)15)20(16,17)14-4-6-18-7-5-14/h2-3,8H,4-7H2,1H3.
What are the key properties of 3-methyl-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one?
3-methyl-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one has a molecular weight of 298.32 g/mol, XLogP of 0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 559418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).